CID 1712276

29021-67-8

Structural Information

Molecular Formula
C10H9NO4S
SMILES
CC1=NC2=C(C=CC(=C2C=C1)S(=O)(=O)O)O
InChI
InChI=1S/C10H9NO4S/c1-6-2-3-7-9(16(13,14)15)5-4-8(12)10(7)11-6/h2-5,12H,1H3,(H,13,14,15)
InChIKey
RDYCCKHYFOQHOD-UHFFFAOYSA-N
Compound name
8-hydroxy-2-methylquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

239.02522 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.032496 147.3
[M+Na]+ 262.014438 158.0
[M-H]- 238.017944 148.9
[M+NH4]+ 257.059043 164.3
[M+K]+ 277.988378 153.8
[M+H-H2O]+ 222.022480 141.9
[M+HCOO]- 284.023421 161.5
[M+CH3COO]- 298.039071 183.9
[M+Na-2H]- 259.999886 153.4
[M]+ 239.02467142 150.5
[M]- 239.02576858 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe